SCHEMBL17813810

SCHEMBL17813810

C/C(=C\C#N)c1cnc(C)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.42
GABRG2 P18507 3/20 0.42
GABRB3 P28472 3/20 0.42
GABRB2 P47870 2/20 0.42
GABRB1 P18505 1/20 0.42
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
AR P10275 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
ASPH Q12797 1/20 0.30
MEN1 O00255 1/20 0.30
BRCA1 P38398 1/20 0.30
KMT2A Q03164 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16455580 1.00 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL17808225 0.84 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL17808229 0.84 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL18699192 0.80 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL16455757 0.74 PDE3B (0.37) ALDH1A1ARCYP1A2CYP2C19ASPH
SCHEMBL16454235 0.74 ASPH (0.35) KDM4EALDH1A1GLACYP1A2CYP2C19
SCHEMBL16455734 0.72 GABRA1 (0.31) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL17797756 0.72 GABRA1 (0.31) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL17797764 0.72 GABRA1 (0.31) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL27743600 0.72 ASPH (0.43) KDM4EALDH1A1GLACYP2C19ASPH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611248-B2 Chemical compounds SYNGENTA LIMITED (GB) 2017-04-04 US disclosed
US-20160159767-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160159767-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 GABRA1 2809/4885GABRG2 2929/4885GABRB3 2637/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.